SCHEMBL9529409

SCHEMBL9529409

CCCCc1nc2c(Cc3ccc(-c4ccccc4C(=O)O)cc3)cc(Cl)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 5/20 0.55
AGTR1 P30556 3/20 0.49
AGTR2 P50052 3/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9452733 0.90 BRS3 (0.56) BRS3AGTR1AGTR2
SCHEMBL9304542 0.87 BRS3 (0.56) BRS3AGTR1AGTR2
SCHEMBL8741191 0.81 BRS3 (0.47) BRS3AGTR1AGTR2
SCHEMBL9510826 0.81 BRS3 (0.55) BRS3AGTR1AGTR2
SCHEMBL9452730 0.77 BRS3 (0.57) BRS3AGTR1AGTR2
SCHEMBL8060271 0.75 BRS3 (0.59) BRS3AGTR1AGTR2
SCHEMBL6534729 0.74 BRS3 (0.57) BRS3AGTR1AGTR2
SCHEMBL1227544 0.74 BRS3 (0.55) BRS3AGTR1AGTR2
SCHEMBL7834869 0.74 DHODH (0.59) BRS3AGTR1AGTR2
SCHEMBL6279332 0.73 PPARG (0.55) BRS3AGTR1AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525129-A4 SUBSTITUTED BENZIMIDAZOLES 1993-03-24 EP disclosed
EP-0525129-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-03 EP disclosed